3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole

C20H26N4O2S — CID 169304906

IUPAC3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole
SMILESCCCn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C20H26N4O2S/c1-4-13-24-15-18(9-12-22-27(25,26)23(2)3)19-6-5-17(14-20(19)24)16-7-10-21-11-8-16/h5-8,10-11,14-15,22H,4,9,12-13H2,1-3H3
InChIKeyYOKBCVOZAKXDNT-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.05
Rot. Bonds8

About 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole

3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole (PubChem CID 169304906) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole.

Molecular Properties

Compound Name3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole
PubChem CID169304906
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole
SMILESCCCn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C20H26N4O2S/c1-4-13-24-15-18(9-12-22-27(25,26)23(2)3)19-6-5-17(14-20(19)24)16-7-10-21-11-8-16/h5-8,10-11,14-15,22H,4,9,12-13H2,1-3H3
InChIKeyYOKBCVOZAKXDNT-UHFFFAOYSA-N
XLogP3.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole?
The IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole (CID 169304906) is 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole.
What is the SMILES notation for 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole?
The canonical SMILES for 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole is CCCn1cc(CCNS(=O)(=O)N(C)C)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole?
The InChIKey is YOKBCVOZAKXDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-4-13-24-15-18(9-12-22-27(25,26)23(2)3)19-6-5-17(14-20(19)24)16-7-10-21-11-8-16/h5-8,10-11,14-15,22H,4,9,12-13H2,1-3H3.
What are the key properties of 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole?
3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole has a molecular weight of 386.52 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole is sourced from PubChem (CID 169304906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).